DFT-FE 1.1.0-pre
Density Functional Theory With Finite-Elements
Loading...
Searching...
No Matches
dftfe::excDensityLLMGGAClass< memorySpace > Member List

This is the complete list of members for dftfe::excDensityLLMGGAClass< memorySpace >, including all inherited members.

applyWaveFunctionDependentFuncDerWrtPsi(const dftfe::linearAlgebra::MultiVector< dataTypes::number, memorySpace > &src, dftfe::linearAlgebra::MultiVector< dataTypes::number, memorySpace > &dst, const unsigned int inputVecSize, const unsigned int kPointIndex, const unsigned int spinIndex) overridedftfe::excDensityLLMGGAClass< memorySpace >virtual
applyWaveFunctionDependentFuncDerWrtPsi(const dftfe::linearAlgebra::MultiVector< dataTypes::numberFP32, memorySpace > &src, dftfe::linearAlgebra::MultiVector< dataTypes::numberFP32, memorySpace > &dst, const unsigned int inputVecSize, const unsigned int kPointIndex, const unsigned int spinIndex) overridedftfe::excDensityLLMGGAClass< memorySpace >virtual
checkInputOutputDataAttributesConsistency(const std::vector< xcRemainderOutputDataAttributes > &outputDataAttributes) const overridedftfe::excDensityLLMGGAClass< memorySpace >virtual
computeRhoTauDependentXCData(AuxDensityMatrix< memorySpace > &auxDensityMatrix, const std::vector< double > &quadPoints, std::unordered_map< xcRemainderOutputDataAttributes, std::vector< double > > &xDataOut, std::unordered_map< xcRemainderOutputDataAttributes, std::vector< double > > &cDataout) const overridedftfe::excDensityLLMGGAClass< memorySpace >virtual
computeWaveFunctionDependentExcEnergy(const std::shared_ptr< AuxDensityMatrix< memorySpace > > &auxDensityMatrix, const std::vector< double > &kPointWeights) overridedftfe::excDensityLLMGGAClass< memorySpace >virtual
d_densityDescriptorAttributesListdftfe::ExcSSDFunctionalBaseClass< memorySpace >protected
d_densityFamilyTypedftfe::ExcSSDFunctionalBaseClass< memorySpace >protected
d_ExcFamilyTypedftfe::ExcSSDFunctionalBaseClass< memorySpace >protected
d_funcCPtrdftfe::excDensityLLMGGAClass< memorySpace >private
d_funcXPtrdftfe::excDensityLLMGGAClass< memorySpace >private
d_NNLLMGGAPtrdftfe::excDensityLLMGGAClass< memorySpace >private
d_spacingFDStencildftfe::excDensityLLMGGAClass< memorySpace >private
d_vxcDivergenceTermFDStencilSizedftfe::excDensityLLMGGAClass< memorySpace >private
excDensityLLMGGAClass(std::shared_ptr< xc_func_type > funcXPtr, std::shared_ptr< xc_func_type > funcCPtr)dftfe::excDensityLLMGGAClass< memorySpace >
excDensityLLMGGAClass(std::shared_ptr< xc_func_type > funcXPtr, std::shared_ptr< xc_func_type > funcCPtr, std::string modelXCInputFile)dftfe::excDensityLLMGGAClass< memorySpace >
ExcSSDFunctionalBaseClass(const ExcFamilyType excFamType, const densityFamilyType densityFamType, const std::vector< DensityDescriptorDataAttributes > &densityDescriptorAttributesList)dftfe::ExcSSDFunctionalBaseClass< memorySpace >
getDensityBasedFamilyType() constdftfe::ExcSSDFunctionalBaseClass< memorySpace >
getDensityDescriptorAttributesList() constdftfe::ExcSSDFunctionalBaseClass< memorySpace >
getExcFamilyType() constdftfe::ExcSSDFunctionalBaseClass< memorySpace >
getExpectationOfWaveFunctionDependentExcFuncDerWrtPsi() overridedftfe::excDensityLLMGGAClass< memorySpace >virtual
getWaveFunctionDependentExcEnergy() overridedftfe::excDensityLLMGGAClass< memorySpace >virtual
reinitKPointDependentVariables(unsigned int kPointIndex) overridedftfe::excDensityLLMGGAClass< memorySpace >virtual
updateWaveFunctionDependentFuncDerWrtPsi(const std::shared_ptr< AuxDensityMatrix< memorySpace > > &auxDensityMatrixPtr, const std::vector< double > &kPointWeights) overridedftfe::excDensityLLMGGAClass< memorySpace >virtual
~excDensityLLMGGAClass()dftfe::excDensityLLMGGAClass< memorySpace >
~ExcSSDFunctionalBaseClass()dftfe::ExcSSDFunctionalBaseClass< memorySpace >virtual